Vitas-M small molecule compound
S-[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl] O-methyl carbonodithioate
Catalog ID
STL566345
SMILES COC(=S)SCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H30O5S2 MW 450.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O5S2/c1-21-8-6-14(24)10-13(21)4-5-15-16-7-9-23(27,18(26)12-30-20(29)28-3)22(16,2)11-17(25)19(15)21/h10,15-16,19,27H,4-9,11-12H2,1-3H3/t15?,16?,19?,21-,22-,23-/m0/s1InChIKey
QTEPKDFMZZYGBS-WASREMNZSA-NSynonyms
16396089
COC(=S)SCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC23H30O5S2c1218614(24)1013(21)4515167923(2718(26)123020(29)283)22(162)1117(25)19(15)21h1015161927H491112H213H3t15?16?19?212223m0s1
Omethyl(2((10R13S17R)17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)sulfanylmethanethioate
S((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)Omethylcarbonodithioate
S(2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)Omethylcarbonodithioate
ZINC000012657326
ZINC000035361102
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